(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile

C14H22N2O3 — CID 11558038

IUPAC(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile
SMILESCC(C)C[C@@H](C#N)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)5-11(7-15)6-13(17)16-12(10(3)4)8-19-14(16)18/h9-12H,5-6,8H2,1-4H3/t11-,12-/m1/s1
InChIKeyWRBJDNKWDCWXRA-VXGBXAGGSA-N
MW266.34 g/mol
LogP2.57
Rot. Bonds5

About (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile

(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile (PubChem CID 11558038) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile.

Molecular Properties

Compound Name(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile
PubChem CID11558038
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile
SMILESCC(C)C[C@@H](C#N)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)5-11(7-15)6-13(17)16-12(10(3)4)8-19-14(16)18/h9-12H,5-6,8H2,1-4H3/t11-,12-/m1/s1
InChIKeyWRBJDNKWDCWXRA-VXGBXAGGSA-N
XLogP2.57
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile?
The IUPAC name of (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile (CID 11558038) is (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile.
What is the SMILES notation for (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile?
The canonical SMILES for (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile is CC(C)C[C@@H](C#N)CC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile?
The InChIKey is WRBJDNKWDCWXRA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)5-11(7-15)6-13(17)16-12(10(3)4)8-19-14(16)18/h9-12H,5-6,8H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile?
(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile has a molecular weight of 266.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile is sourced from PubChem (CID 11558038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).